SCHEMBL7513005

SCHEMBL7513005

CC(C)[C@H](NCc1ccc(C(=O)O)cc1N)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 7/20 0.52
ERAP2 Q6P179 4/20 0.50
ERAP1 Q9NZ08 2/20 0.49
MEP1B Q16820 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
IL1RN P18510 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7513015 1.00 LNPEP (0.52) LNPEPERAP2ERAP1MEP1BMEN1
SCHEMBL7513151 0.83 ITGA4 (0.46) MEP1BALDH1A1MAPTSMN1; SMN2
SCHEMBL7513158 0.83 ITGA4 (0.46) MEP1BALDH1A1MAPTSMN1; SMN2
SCHEMBL7514543 0.77 LNPEP (0.53) LNPEPERAP2ERAP1MEP1BALDH1A1
SCHEMBL7514551 0.77 LNPEP (0.53) LNPEPERAP2ERAP1MEP1BALDH1A1
SCHEMBL27987067 0.76 KDM4E (0.49) MEP1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL2136933 0.74 ALDH1A1 (0.50) ERAP2ERAP1ALDH1A1IL1RNTRPM8
SCHEMBL2138849 0.74 ALDH1A1 (0.50) ERAP2ERAP1ALDH1A1IL1RNTRPM8
SCHEMBL22004939 0.74 ALDH1A1 (0.50) ERAP2ERAP1ALDH1A1IL1RNTRPM8
SCHEMBL7513020 0.73 LNPEP (0.41) LNPEPERAP2ERAP1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed